4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

C21H17BrN2O3 — CID 135601126

IUPAC4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C21H17BrN2O3/c22-18-6-3-4-15(12-18)14-27-19-10-8-16(9-11-19)21(26)24-23-13-17-5-1-2-7-20(17)25/h1-13,25H,14H2,(H,24,26)/b23-13+
InChIKeyRPVVMZOGBRUKAA-YDZHTSKRSA-N
MW425.28 g/mol
LogP4.50
Rot. Bonds6

About 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135601126) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135601126
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC Name4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C21H17BrN2O3/c22-18-6-3-4-15(12-18)14-27-19-10-8-16(9-11-19)21(26)24-23-13-17-5-1-2-7-20(17)25/h1-13,25H,14H2,(H,24,26)/b23-13+
InChIKeyRPVVMZOGBRUKAA-YDZHTSKRSA-N
XLogP4.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135801516
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 3885983
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6150699
4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
CID 3400456
N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135601126) is 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1O)c1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RPVVMZOGBRUKAA-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-18-6-3-4-15(12-18)14-27-19-10-8-16(9-11-19)21(26)24-23-13-17-5-1-2-7-20(17)25/h1-13,25H,14H2,(H,24,26)/b23-13+.
What are the key properties of 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135601126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).